2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide

C23H21N3O4 — CID 18524792

IUPAC2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C23H21N3O4/c1-14-6-8-18(15(2)11-14)29-13-21(27)25-17-12-16(7-9-19(17)28-3)23-26-22-20(30-23)5-4-10-24-22/h4-12H,13H2,1-3H3,(H,25,27)
InChIKeyCTCMDNHTHPYFCJ-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.53
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide

2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 18524792) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
PubChem CID18524792
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C23H21N3O4/c1-14-6-8-18(15(2)11-14)29-13-21(27)25-17-12-16(7-9-19(17)28-3)23-26-22-20(30-23)5-4-10-24-22/h4-12H,13H2,1-3H3,(H,25,27)
InChIKeyCTCMDNHTHPYFCJ-UHFFFAOYSA-N
XLogP4.53
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 6497027
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
2-(4-chlorophenyl)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 6497000
N-[3-chloro-2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 17220610
N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1227107
N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 1338199
5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1333230
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,5-dimethyl-4H-1,2-oxazole-5-carboxamide
CID 46991011
3-bromo-4-methoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 6497006
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 22587197
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 71965790

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (CID 18524792) is 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is CTCMDNHTHPYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-6-8-18(15(2)11-14)29-13-21(27)25-17-12-16(7-9-19(17)28-3)23-26-22-20(30-23)5-4-10-24-22/h4-12H,13H2,1-3H3,(H,25,27).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 18524792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).